SCHEMBL5406078

SCHEMBL5406078

CC(C)(C)OC(=O)NC1CCCC(C(=O)N(Cc2ccccc2)Cc2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.58
KMT2A Q03164 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
KDM1A O60341 1/20 0.47
MAOB P27338 1/20 0.47
MEN1 O00255 2/20 0.46
CTSL P07711 2/20 0.46
CTSB P07858 2/20 0.46
CTSS P25774 2/20 0.46
AKT1 P31749 3/20 0.45
REN P00797 1/20 0.43
PTGES O14684 1/20 0.43
DRD2 P14416 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
KCNA3 P22001 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16675679 0.83 KMT2A (0.54) BTKKMT2AL3MBTL1KDM1AMAOB
SCHEMBL12047039 0.83 KMT2A (0.54) BTKKMT2AL3MBTL1KDM1AMAOB
SCHEMBL16675680 0.83 KMT2A (0.54) BTKKMT2AL3MBTL1KDM1AMAOB
SCHEMBL18338559 0.81 BTK (0.60) BTKKMT2AL3MBTL1KDM1AMAOB
SCHEMBL21377005 0.81 BTK (0.60) BTKKMT2AL3MBTL1KDM1AMAOB
SCHEMBL19719164 0.81 BTK (0.60) BTKKMT2AL3MBTL1KDM1AMAOB
SCHEMBL18338558 0.81 BTK (0.60) BTKKMT2AL3MBTL1KDM1AMAOB
SCHEMBL18360420 0.81 BTK (0.60) BTKKMT2AL3MBTL1KDM1AMAOB
SCHEMBL31284769 0.80 KMT2A (0.60) BTKKMT2AL3MBTL1KDM1AMAOB
SCHEMBL2670623 0.79 KMT2A (0.63) BTKKMT2AL3MBTL1KDM1AMAOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA BTK 438/4885KMT2A 2296/4885L3MBTL1 1142/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.